2-[[2-[4-isoindol-2-yl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]hex-5-enoic acid

Systemtic Name: 2-[[2-[4-isoindol-2-yl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]hex-5-enoic acid Openeye Name: 2-[[2-(4-isoindol-2-yl-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoyl]amino]hex-5-enoic acid CAS Name: 2-[[2-[4-(2-isoindolyl)-1,3-dioxo-2-isoindolyl]-1-oxo-3-phenylpropyl]amino]-5-hexenoic acid IUPAC Name: 2-[[2-(4-isoindol-2-yl-1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]hex-5-enoic acid Traditional Name: 2-[[2-(4-isoindol-2-yl-1,3-diketo-isoindolin-2-yl)-3-phenyl-propanoyl]amino]hex-5-enoic acid Formula: C31H27N3O5 MolecularWeight: 521.56318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4C=C5C=CC=CC5=C4

Isomeric SMILES

C=CCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4C=C5C=CC=CC5=C4

InChI

InChI=1S/C31H27N3O5/c1-2-3-15-24(31(38)39)32-28(35)26(17-20-10-5-4-6-11-20)34-29(36)23-14-9-16-25(27(23)30(34)37)33-18-21-12-7-8-13-22(21)19-33/h2,4-14,16,18-19,24,26H,1,3,15,17H2,(H,32,35)(H,38,39)